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PUBCHEM-ZINC05765223

 MMsINC code: MMs03378775
Type: Neutral
Formula: C7H14N10
SMILES:   n1c(cc(nc1NN=C(N)N)NN=C(N)N)C
InChI:   InChI=1/C7H14N10/c1-3-2-4(14-15-5(8)9)13-7(12-3)17-16-6(10)11/h2H,1H3,(H4,8,9,15)(H4,10,11,16)(H2,12,13,14,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-21.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.259 g/mol  logS: -1.60883  SlogP: -2.01438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00530582  Sterimol/B1: 1.969  Sterimol/B2: 2.09855  Sterimol/B3: 2.51216
  Sterimol/B4: 9.75814  Sterimol/L: 13.5996 
 
 Surface and Volume Properties
  Accessible surface: 488.446  Positive charged surface: 360.903  Negative charged surface: 127.544  Volume: 213
  Hydrophobic surface: 121.445  Hydrophilic surface: 367.001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.